Geometry & MOs

Info

ID:

406630

PubChem CID:

135078216

Reduced:

AlNOC25H45 (1)

Stoich.:

ABCD25E45 (1)

Weight, g/mol:

982.258476

ΔHf, kcal/mol:

-104.83

Dipole, Da:

3.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754796

Charge, e:

 0

Chem-info

IUPAC name:

[3-(2,2-dimethylpropanoyloxy)-2-[(Z)-4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)but-2-enoxy]-6-(hydroxymethyl)-5-phenylmethoxyoxan-4-yl] 4-oxopentanoate

Drug info:

PubChemData

Smile

CC(C)C[Al-](CC(C)C)(CC(C)C)C1=CC=CC=C1C(=O)N(C(C)C)C(C)C

DOS

IR

Vibrations